methyl 6-[(6-benzamidopyridine-2-carbonyl)amino]pyridine-2-carboxylate

C20H16N4O4 — CID 139181922

IUPACmethyl 6-[(6-benzamidopyridine-2-carbonyl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3)n2)n1
InChIInChI=1S/C20H16N4O4/c1-28-20(27)15-10-6-12-17(22-15)24-19(26)14-9-5-11-16(21-14)23-18(25)13-7-3-2-4-8-13/h2-12H,1H3,(H,21,23,25)(H,22,24,26)
InChIKeyKMWSBEAPQUXSMG-UHFFFAOYSA-N
MW376.37 g/mol
LogP2.77
Rot. Bonds5

About methyl 6-[(6-benzamidopyridine-2-carbonyl)amino]pyridine-2-carboxylate

methyl 6-[(6-benzamidopyridine-2-carbonyl)amino]pyridine-2-carboxylate (PubChem CID 139181922) has the molecular formula C20H16N4O4 and a molecular weight of 376.37 g/mol. Its IUPAC name is methyl 6-[(6-benzamidopyridine-2-carbonyl)amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(6-benzamidopyridine-2-carbonyl)amino]pyridine-2-carboxylate
PubChem CID139181922
Molecular FormulaC20H16N4O4
Molecular Weight376.37 g/mol
Exact Mass376.12
IUPAC Namemethyl 6-[(6-benzamidopyridine-2-carbonyl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3)n2)n1
InChIInChI=1S/C20H16N4O4/c1-28-20(27)15-10-6-12-17(22-15)24-19(26)14-9-5-11-16(21-14)23-18(25)13-7-3-2-4-8-13/h2-12H,1H3,(H,21,23,25)(H,22,24,26)
InChIKeyKMWSBEAPQUXSMG-UHFFFAOYSA-N
XLogP2.77
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Methyl 6-(3-(7-Phenylheptanoyl)-1,2,4-oxadiazol-5-yl)-picolinate
CID 24951159
benzyl N-[(2S)-1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-1-oxo-6-(prop-2-enoylamino)hexan-2-yl]carbamate
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Methyl 2-({[(4,6-dimethyl-2-pyridinyl)amino]carbonyl}amino)benzoate
CID 971446
methyl 6-[(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)carbamoylamino]pyridine-2-carboxylate
CID 127034002
Propan-2-YL 6-[(6-{6-[(propan-2-yloxy)carbonyl]pyridine-2-amido}pyridin-2-YL)carbamoyl]pyridine-2-carboxylate
CID 4684432
US10807989, Example SC_1002
CID 130200645
Methyl 6-amino-3-methylpyridine-2-carboxylate
CID 57582322
Methyl 7-aza-2-oxindole-6-carboxylate
CID 71651114
Ethyl 6-({6-[6-(ethoxycarbonyl)pyridine-2-amido]pyridin-2-YL}carbamoyl)pyridine-2-carboxylate
CID 5023417
methyl 6-[[(2S)-2-[[(2R)-2-[[(2S)-2-(tetradecanoylamino)propanoyl]amino]propanoyl]amino]propanoyl]amino]pyridine-2-carboxylate
CID 137634242

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(6-benzamidopyridine-2-carbonyl)amino]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(6-benzamidopyridine-2-carbonyl)amino]pyridine-2-carboxylate (CID 139181922) is methyl 6-[(6-benzamidopyridine-2-carbonyl)amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(6-benzamidopyridine-2-carbonyl)amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(6-benzamidopyridine-2-carbonyl)amino]pyridine-2-carboxylate is COC(=O)c1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3)n2)n1.
What is the InChIKey of methyl 6-[(6-benzamidopyridine-2-carbonyl)amino]pyridine-2-carboxylate?
The InChIKey is KMWSBEAPQUXSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4/c1-28-20(27)15-10-6-12-17(22-15)24-19(26)14-9-5-11-16(21-14)23-18(25)13-7-3-2-4-8-13/h2-12H,1H3,(H,21,23,25)(H,22,24,26).
What are the key properties of methyl 6-[(6-benzamidopyridine-2-carbonyl)amino]pyridine-2-carboxylate?
methyl 6-[(6-benzamidopyridine-2-carbonyl)amino]pyridine-2-carboxylate has a molecular weight of 376.37 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(6-benzamidopyridine-2-carbonyl)amino]pyridine-2-carboxylate is sourced from PubChem (CID 139181922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).